1-cyclohexa-2,5-dien-1-ylnaphthalene

C16H14 — CID 15535611

IUPAC1-cyclohexa-2,5-dien-1-ylnaphthalene
SMILESC1=CC(c2cccc3ccccc23)C=CC1
InChIInChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2-13H,1H2
InChIKeyGHJPFWXEGVIHRS-UHFFFAOYSA-N
MW206.29 g/mol
LogP4.44
Rot. Bonds1

About 1-cyclohexa-2,5-dien-1-ylnaphthalene

1-cyclohexa-2,5-dien-1-ylnaphthalene (PubChem CID 15535611) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-cyclohexa-2,5-dien-1-ylnaphthalene.

Molecular Properties

Compound Name1-cyclohexa-2,5-dien-1-ylnaphthalene
PubChem CID15535611
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Name1-cyclohexa-2,5-dien-1-ylnaphthalene
SMILESC1=CC(c2cccc3ccccc23)C=CC1
InChIInChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2-13H,1H2
InChIKeyGHJPFWXEGVIHRS-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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2-naphthalen-1-ylcyclopropan-1-amine
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cyclopenta-1,3-diene;phenanthrene
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12-naphthalen-1-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 633780
5-naphthalen-1-yl-5H-tetrazole
CID 174663110
2-naphthalen-1-ylpiperidine
CID 4209523
(2R)-2-naphthalen-1-ylpyrrolidine;hydrochloride
CID 154803630
2-naphthalen-1-yl-1,3-dioxole
CID 67839712
(2S)-2-naphthalen-1-ylazepane
CID 7048283
3-methyl-2-naphthalen-1-yl-2H-azirine
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CID 134952620

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,5-dien-1-ylnaphthalene?
The IUPAC name of 1-cyclohexa-2,5-dien-1-ylnaphthalene (CID 15535611) is 1-cyclohexa-2,5-dien-1-ylnaphthalene.
What is the SMILES notation for 1-cyclohexa-2,5-dien-1-ylnaphthalene?
The canonical SMILES for 1-cyclohexa-2,5-dien-1-ylnaphthalene is C1=CC(c2cccc3ccccc23)C=CC1.
What is the InChIKey of 1-cyclohexa-2,5-dien-1-ylnaphthalene?
The InChIKey is GHJPFWXEGVIHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h2-13H,1H2.
What are the key properties of 1-cyclohexa-2,5-dien-1-ylnaphthalene?
1-cyclohexa-2,5-dien-1-ylnaphthalene has a molecular weight of 206.29 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,5-dien-1-ylnaphthalene is sourced from PubChem (CID 15535611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).